2,2,6,6-Tetramethylcycloheptanone
Basic information
- CAS
2862-86-4- Standard SMILES
CC1(C)CCCC(C)(C)C(=O)C1- InChIKey
GLNVRAJJCNLWMB-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 2,2,6,6-Tetramethylcycloheptanone
- IUPAC
- 2,2,6,6-tetramethylcycloheptan-1-one
Names & synonyms
2,2,6,6-Tetramethylcycloheptanone2,2,6,6-tetramethylcycloheptan-1-one2862-86-4SCHEMBL29050668DTXSID401300213
Database identifiers
- CAS
2862-86-4- PubChem CID
- 14565992
- DTXSID
DTXSID401300213- Nikkaji
- J283.712I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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